ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-phenethyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-phenethyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-phenethyl-piperidine-4-carboxylate CAS Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-oxopropyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-phenethylpiperidine-4-carboxylate Traditional Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-phenethyl-isonipecotic acid ethyl ester Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCC2=C(NN=C2C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCC2=C(NN=C2C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O3/c1-4-30-23(29)24(13-12-20-8-6-5-7-9-20)14-16-27(17-15-24)22(28)11-10-21-18(2)25-26-19(21)3/h5-9H,4,10-17H2,1-3H3,(H,25,26)